On Mon, 29 May 2006 12:14:04 +0530 "Annie Albin" <anniealbin at gmail.com> wrote: > Hi all, > > I would like to know if there is a way by which we >can get to know > the coordinates of the centre of mass for the >molecule/system? > Since new to this field....any suggestions would >be of great help. look at g_traj ... XAvier